methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[4-[2-[(2R,6S)-6-[(4-cyanophenoxy)methyl]morpholin-2-yl]ethyl]-2-oxo-1H-pyridin-3-yl]carbamate

C36H37N5O6 — CID 130275212

About methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[4-[2-[(2R,6S)-6-[(4-cyanophenoxy)methyl]morpholin-2-yl]ethyl]-2-oxo-1H-pyridin-3-yl]carbamate

methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[4-[2-[(2R,6S)-6-[(4-cyanophenoxy)methyl]morpholin-2-yl]ethyl]-2-oxo-1H-pyridin-3-yl]carbamate (PubChem CID 130275212) has the molecular formula C36H37N5O6 and a molecular weight of 635.72 g/mol. Its IUPAC name is methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[4-[2-[(2R,6S)-6-[(4-cyanophenoxy)methyl]morpholin-2-yl]ethyl]-2-oxo-1H-pyridin-3-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[4-[2-[(2R,6S)-6-[(4-cyanophenoxy)methyl]morpholin-2-yl]ethyl]-2-oxo-1H-pyridin-3-yl]carbamate
• PubChem CID: 130275212
• Molecular Formula: C36H37N5O6
• Molecular Weight: 635.72 g/mol
• Exact Mass: 635.27
• IUPAC Name: methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[4-[2-[(2R,6S)-6-[(4-cyanophenoxy)methyl]morpholin-2-yl]ethyl]-2-oxo-1H-pyridin-3-yl]carbamate
• SMILES: COC(=O)N(C(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)c1c(CC[C@@H]2CNC[C@@H](COc3ccc(C#N)cc3)O2)cc[nH]c1=O
• InChI: InChI=1S/C36H37N5O6/c1-45-36(44)41(35(43)32(38)31(25-8-4-2-5-9-25)26-10-6-3-7-11-26)33-27(18-19-40-34(33)42)14-17-29-21-39-22-30(47-29)23-46-28-15-12-24(20-37)13-16-28/h2-13,15-16,18-19,29-32,39H,14,17,21-23,38H2,1H3,(H,40,42)/t29-,30+,32+/m1/s1
• InChIKey: BQASQWGUKPPQIY-JNGVYSEMSA-N
• XLogP: 3.87
• TPSA: 159.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.72
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[4-[2-[(2R,6S)-6-[(4-cyanophenoxy)methyl]morpholin-2-yl]ethyl]-2-oxo-1H-pyridin-3-yl]carbamate?

The IUPAC name of methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[4-[2-[(2R,6S)-6-[(4-cyanophenoxy)methyl]morpholin-2-yl]ethyl]-2-oxo-1H-pyridin-3-yl]carbamate (CID 130275212) is methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[4-[2-[(2R,6S)-6-[(4-cyanophenoxy)methyl]morpholin-2-yl]ethyl]-2-oxo-1H-pyridin-3-yl]carbamate.

What is the SMILES notation for methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[4-[2-[(2R,6S)-6-[(4-cyanophenoxy)methyl]morpholin-2-yl]ethyl]-2-oxo-1H-pyridin-3-yl]carbamate?

The canonical SMILES for methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[4-[2-[(2R,6S)-6-[(4-cyanophenoxy)methyl]morpholin-2-yl]ethyl]-2-oxo-1H-pyridin-3-yl]carbamate is COC(=O)N(C(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)c1c(CC[C@@H]2CNC[C@@H](COc3ccc(C#N)cc3)O2)cc[nH]c1=O.

What is the InChIKey of methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[4-[2-[(2R,6S)-6-[(4-cyanophenoxy)methyl]morpholin-2-yl]ethyl]-2-oxo-1H-pyridin-3-yl]carbamate?

The InChIKey is BQASQWGUKPPQIY-JNGVYSEMSA-N. The full InChI is InChI=1S/C36H37N5O6/c1-45-36(44)41(35(43)32(38)31(25-8-4-2-5-9-25)26-10-6-3-7-11-26)33-27(18-19-40-34(33)42)14-17-29-21-39-22-30(47-29)23-46-28-15-12-24(20-37)13-16-28/h2-13,15-16,18-19,29-32,39H,14,17,21-23,38H2,1H3,(H,40,42)/t29-,30+,32+/m1/s1.

What are the key properties of methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[4-[2-[(2R,6S)-6-[(4-cyanophenoxy)methyl]morpholin-2-yl]ethyl]-2-oxo-1H-pyridin-3-yl]carbamate?

methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[4-[2-[(2R,6S)-6-[(4-cyanophenoxy)methyl]morpholin-2-yl]ethyl]-2-oxo-1H-pyridin-3-yl]carbamate has a molecular weight of 635.72 g/mol, XLogP of 3.87, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[(2S)-2-amino-3,3-diphenylpropanoyl]-N-[4-[2-[(2R,6S)-6-[(4-cyanophenoxy)methyl]morpholin-2-yl]ethyl]-2-oxo-1H-pyridin-3-yl]carbamate is sourced from PubChem (CID 130275212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).